5-[[4-[(4-chlorophenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: 5-[[4-[(4-chlorophenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: 5-[[4-(4-chloroanilino)-5-fluoro-pyrimidin-2-yl]amino]-N-methyl-2,3-dihydrobenzofuran-2-carboxamide CAS Name: 5-[[4-(4-chloroanilino)-5-fluoro-2-pyrimidinyl]amino]-N-methyl-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: 5-[[4-(4-chloroanilino)-5-fluoropyrimidin-2-yl]amino]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: 5-[[4-(4-chloroanilino)-5-fluoro-pyrimidin-2-yl]amino]-N-methyl-coumaran-2-carboxamide Formula: C20H17ClFN5O2 MolecularWeight: 413.832683

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)Cl)F

Isomeric SMILES

CNC(=O)C1CC2=C(O1)C=CC(=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C20H17ClFN5O2/c1-23-19(28)17-9-11-8-14(6-7-16(11)29-17)26-20-24-10-15(22)18(27-20)25-13-4-2-12(21)3-5-13/h2-8,10,17H,9H2,1H3,(H,23,28)(H2,24,25,26,27)